New. J. Chem., 23, 951-954 (1999)
I. Alkorta, J. Elguero
Can aromaticity be described with a single parameter? Benzene vs cyclohexatriene
The problem of magnetic vs. geometric criteria of aromaticity is approached using NICS/GIAO/B3LYP/6-31G* calculations on benzene and distorted benzenes, the conclusion being that a relationship exists between these criteria but only for specific subsets.
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